Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKILGIASLIMSTGVVHAEQLNEQEQISPYSVNVTFASQYISRG--FQQTWGKPALQIGLDYANPNGLFVGTWASNVSSNYLRDASVEWDFYAGYLKTIDKFSIGMSVYYYYYPGAKSTPETGSTNYNYGEIVPQIGYGPLSLKYFITYTPDYAGYNSNTMGG-------PEGKRSRGTTYLDLNFTQPINESWTFGAHYGYERIKN----FSEANFQDMKVELIKDLGDGWTTGLAYTKAWDKDGYYRNYSNGESDAPISNPIDSTFTVSVKKVF 4ATD Chain:A ((270-448)) --------------GISHATQWME-----PWDENSASDVEAAARALDFMLGWFMEPITSG-DYPKSMKKFVGSRLPKFSPEQSKMLKGSYDF------------VGLNYYTASYVTNAS-------NFSYNTDI------------HVTYETDRNGVPIGPQSGSDWLLIYPEGIR-KILVYTKKTYNVPL----IYVTENGVDDVKNTNLTLSEARKDSMRLKYLQD-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ATD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 638 17272 27.07 108.63 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 27.07 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.018

(partial model without unconserved sides chains): PDB file : Tito_4ATD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ATD-query.scw PDB file : Tito_Scwrl_4ATD.pdb: